Deciphering the Hydrophilic Behavior and Vibrational Characteristics of θ-Al2O3 (010) Surface

Key Points

• The aim is to decipher the hydrophilic behavior and vibrational characteristics of the θ-Al2O3 surface.
• Simulations to evaluate hydrophilicity of θ-Al2O3 surface.
• Analysis of water and hydroxyl (H2O/OH) adsorption characteristics.
• Sustained adsorption of H2O/OH observed on the θ-Al2O3 surface.
• Insights into structure-function relationships in catalysis.